2-[4-[6-Chloro-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol dihydrochloride
Basic information
- CAS
6961-30-4- Standard SMILES
Cl.OCCN1CCN(c2cc(Cl)nc(N3CCN(CCO)CC3)n2)CC1- InChIKey
MJDSYVTZADYOSO-UHFFFAOYSA-N- Molecular formula
- C16H28Cl2N6O2
- Average molar mass
- 407.3 g/mol
- Monoisotopic mass
- 406.1650795
Names & identifiers
- Preferred name
- 2-[4-[6-Chloro-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol dihydrochloride
- IUPAC
- 2-[4-[6-chloro-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol;hydrochloride
Names & synonyms
NSC63480NSC-634802-[4-[6-chloro-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol dihydrochloride
Database identifiers
- CAS
6961-30-4- PubChem CID
- 24187331
Properties
Computed structural properties
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 391
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Compound notes
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